3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione

C18H16O4 — CID 156580717

IUPAC3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione
SMILESCc1c(O)cc2c(c1C)C(=O)c1c(cc(O)c(C)c1C)C2=O
InChIInChI=1S/C18H16O4/c1-7-9(3)15-11(5-13(7)19)17(21)12-6-14(20)8(2)10(4)16(12)18(15)22/h5-6,19-20H,1-4H3
InChIKeyZAZUWPWZNFAFMS-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.11
Rot. Bonds

About 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione

3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione (PubChem CID 156580717) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione.

Molecular Properties

Compound Name3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione
PubChem CID156580717
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione
SMILESCc1c(O)cc2c(c1C)C(=O)c1c(cc(O)c(C)c1C)C2=O
InChIInChI=1S/C18H16O4/c1-7-9(3)15-11(5-13(7)19)17(21)12-6-14(20)8(2)10(4)16(12)18(15)22/h5-6,19-20H,1-4H3
InChIKeyZAZUWPWZNFAFMS-UHFFFAOYSA-N
XLogP3.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione?
The IUPAC name of 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione (CID 156580717) is 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione.
What is the SMILES notation for 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione?
The canonical SMILES for 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione is Cc1c(O)cc2c(c1C)C(=O)c1c(cc(O)c(C)c1C)C2=O.
What is the InChIKey of 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione?
The InChIKey is ZAZUWPWZNFAFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-7-9(3)15-11(5-13(7)19)17(21)12-6-14(20)8(2)10(4)16(12)18(15)22/h5-6,19-20H,1-4H3.
What are the key properties of 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione?
3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione has a molecular weight of 296.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydroxy-1,2,7,8-tetramethylanthracene-9,10-dione is sourced from PubChem (CID 156580717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).